Two decades of Martini: Better beads, broader scope

SJ Marrink, L Monticelli, MN Melo… - Wiley …, 2023 - Wiley Online Library
The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …

[HTML][HTML] Computational modeling of membrane trafficking processes: From large molecular assemblies to chemical specificity

D Alvarez, J Sapia, S Vanni - Current Opinion in Cell Biology, 2023 - Elsevier
In the last decade, molecular dynamics (MD) simulations have become an essential tool to
investigate the molecular properties of membrane trafficking processes, often in conjunction …

Myomerger promotes fusion pore by elastic coupling between proximal membrane leaflets and hemifusion diaphragm

G Golani, E Leikina, K Melikov, JM Whitlock… - Nature …, 2021 - nature.com
Myomerger is a muscle-specific membrane protein involved in formation of multinucleated
muscle cells by mediating the transition from the early hemifusion stage to complete fusion …

Should I stay or should I go? Golgi membrane spatial organization for protein sorting and retention

P Lujan, F Campelo - Archives of biochemistry and biophysics, 2021 - Elsevier
The Golgi complex is the membrane-bound organelle that lies at the center of the secretory
pathway. Its main functions are to maintain cellular lipid homeostasis, to orchestrate protein …

Molecular dynamics simulations of curved lipid membranes

AH Larsen - International Journal of Molecular Sciences, 2022 - mdpi.com
Eukaryotic cells contain membranes with various curvatures, from the near-plane plasma
membrane to the highly curved membranes of organelles, vesicles, and membrane …

Molecular dynamics of the viral life cycle: progress and prospects

PE Jones, C Pérez-Segura, AJ Bryer, JR Perilla… - Current opinion in …, 2021 - Elsevier
Highlights•Molecular dynamics simulations are the central technique uniting the field of
computational virology.•Viruses responsible for recent epidemics and pandemics have been …

The local variation of the Gaussian modulus enables different pathways for fluid lipid vesicle fusion

M Bottacchiari, M Gallo, M Bussoletti, CM Casciola - Scientific Reports, 2024 - nature.com
Viral infections, fertilization, neurotransmission, and many other fundamental biological
processes rely on membrane fusion. Straightforward calculations based on the celebrated …

SARS-CoV-2 Binding to Terminal Sialic Acid of Gangliosides Embedded in Lipid Membranes

G Negi, A Sharma, M Chaudhary, D Gupta… - ACS Infectious …, 2023 - ACS Publications
Multiple recent reports indicate that the S protein of SARS-CoV-2 specifically interacts with
membrane receptors and attachment factors other than ACE2. They likely have an active …

Ceramide-1-phosphate transfer protein enhances lipid transport by disrupting hydrophobic lipid–membrane contacts

JR Rogers, PL Geissler - PLOS Computational Biology, 2023 - journals.plos.org
Cellular distributions of the sphingolipid ceramide-1-phosphate (C1P) impact essential
biological processes. C1P levels are spatiotemporally regulated by ceramide-1-phosphate …

Single-virus content-mixing assay reveals cholesterol-enhanced influenza membrane fusion efficiency

KN Liu, SG Boxer - Biophysical Journal, 2021 - cell.com
To infect a cell, enveloped viruses must first undergo membrane fusion, which proceeds
through a hemifusion intermediate, followed by the formation of a fusion pore through which …